element(s):
['C', 'Nb']
AFLOW prototype label:
AB2_hP3_164_a_d
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1521', '1.5912566', '0.25048069']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.74951931]]
spacegroup =  164
cell =  [[3.1521, 0, 0], [-1.57605, 2.7297986752689, 0], [0, 0, 5.0158]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:23:28      -13.415614        3.6823
BFGS:    1 13:23:28      -14.167498        3.2878
BFGS:    2 13:23:28      -14.806332        2.7420
BFGS:    3 13:23:28      -15.273182        2.0492
BFGS:    4 13:23:28      -15.532513        1.2596
BFGS:    5 13:23:28      -15.624641        1.2249
BFGS:    6 13:23:28      -15.698591        1.5079
BFGS:    7 13:23:28      -15.793813        1.6372
BFGS:    8 13:23:28      -15.897924        1.4358
BFGS:    9 13:23:28      -15.984280        0.9733
BFGS:   10 13:23:28      -16.026102        0.3068
BFGS:   11 13:23:28      -16.030870        0.1134
BFGS:   12 13:23:28      -16.031470        0.0439
BFGS:   13 13:23:28      -16.031517        0.0343
BFGS:   14 13:23:28      -16.031643        0.0341
BFGS:   15 13:23:28      -16.031771        0.0299
BFGS:   16 13:23:28      -16.031863        0.0143
BFGS:   17 13:23:28      -16.031888        0.0029
BFGS:   18 13:23:28      -16.031890        0.0004
BFGS:   19 13:23:28      -16.031890        0.0001
BFGS:   20 13:23:28      -16.031890        0.0000
BFGS:   21 13:23:28      -16.031890        0.0000
BFGS:   22 13:23:28      -16.031890        0.0000
BFGS:   23 13:23:28      -16.031890        0.0000
Minimization converged after 23 steps.
Maximum force component: 4.568113841356322e-09 eV/Angstrom
Maximum stress component: 2.4916395264609987e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Nb', 'Nb']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.82320905]
 [0.66666667 0.33333333 0.17679095]]
cellpar =  Cell([[3.1630599322101807, -1.0487973876857486e-17, 9.637828398022505e-36], [-1.5815299661050903, 2.739290254986701, 6.634709940898937e-36], [1.57065431824642e-35, 2.1125785240607093e-35, 4.271700783193479]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.74693094e-32  1.91331369e-31  4.56811384e-09]
 [ 2.76163043e-32  4.78328422e-32 -4.56811384e-09]]
stress =  [ 2.49163953e-10  2.49163953e-10  8.39240741e-11 -1.40449539e-33
 -2.43265738e-33  3.48917325e-26]
energy per atom =  -5.3439631838170785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0